USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0515 X(o=-0.051,f=-0.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.0043) USER MOD Single : A 35 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 46:sc= 0.814 USER MOD Single : A 62 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.39) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -42:sc= -0.284! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.913 X(o=-0.91,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.215 -15.866 39.079 1.00 0.00 N ATOM 2 CA MET A 1 -24.451 -15.878 38.316 1.00 0.00 C ATOM 3 C MET A 1 -24.183 -15.617 36.832 1.00 0.00 C ATOM 4 O MET A 1 -23.835 -14.501 36.448 1.00 0.00 O ATOM 5 CB MET A 1 -25.398 -14.806 38.860 1.00 0.00 C ATOM 6 CG MET A 1 -26.800 -15.376 39.085 1.00 0.00 C ATOM 7 SD MET A 1 -27.443 -14.814 40.652 1.00 0.00 S ATOM 8 CE MET A 1 -28.925 -13.986 40.100 1.00 0.00 C ATOM 0 H1 MET A 1 -23.424 -16.045 40.082 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.578 -16.606 38.720 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.756 -14.938 38.982 1.00 0.00 H new ATOM 0 HA MET A 1 -24.907 -16.863 38.416 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.007 -14.412 39.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.449 -13.972 38.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.462 -15.064 38.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.766 -16.465 39.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.453 -13.573 40.960 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.658 -13.180 39.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.570 -14.699 39.587 1.00 0.00 H new ATOM 18 N GLU A 2 -24.354 -16.664 36.039 1.00 0.00 N ATOM 19 CA GLU A 2 -24.135 -16.561 34.607 1.00 0.00 C ATOM 20 C GLU A 2 -24.833 -15.319 34.050 1.00 0.00 C ATOM 21 O GLU A 2 -25.875 -14.908 34.559 1.00 0.00 O ATOM 22 CB GLU A 2 -24.610 -17.826 33.887 1.00 0.00 C ATOM 23 CG GLU A 2 -23.824 -18.048 32.593 1.00 0.00 C ATOM 24 CD GLU A 2 -24.701 -17.785 31.367 1.00 0.00 C ATOM 25 OE1 GLU A 2 -25.936 -17.830 31.468 1.00 0.00 O ATOM 26 OE2 GLU A 2 -24.055 -17.525 30.281 1.00 0.00 O ATOM 0 H GLU A 2 -24.642 -17.588 36.361 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.064 -16.462 34.430 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.490 -18.689 34.542 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -25.673 -17.743 33.661 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.957 -17.388 32.572 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.448 -19.070 32.563 1.00 0.00 H new ATOM 34 N VAL A 3 -24.231 -14.756 33.012 1.00 0.00 N ATOM 35 CA VAL A 3 -24.782 -13.569 32.381 1.00 0.00 C ATOM 36 C VAL A 3 -25.932 -13.975 31.457 1.00 0.00 C ATOM 37 O VAL A 3 -25.933 -15.075 30.907 1.00 0.00 O ATOM 38 CB VAL A 3 -23.676 -12.800 31.656 1.00 0.00 C ATOM 39 CG1 VAL A 3 -24.079 -11.342 31.430 1.00 0.00 C ATOM 40 CG2 VAL A 3 -22.354 -12.891 32.421 1.00 0.00 C ATOM 0 H VAL A 3 -23.367 -15.100 32.593 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.191 -12.893 33.132 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.531 -13.262 30.680 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -23.275 -10.818 30.913 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.985 -11.304 30.825 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.265 -10.863 32.391 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -21.584 -12.336 31.885 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -22.480 -12.466 33.417 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -22.055 -13.936 32.507 1.00 0.00 H new ATOM 50 N ALA A 4 -26.884 -13.065 31.315 1.00 0.00 N ATOM 51 CA ALA A 4 -28.038 -13.314 30.467 1.00 0.00 C ATOM 52 C ALA A 4 -27.561 -13.669 29.057 1.00 0.00 C ATOM 53 O ALA A 4 -26.860 -12.885 28.420 1.00 0.00 O ATOM 54 CB ALA A 4 -28.957 -12.091 30.482 1.00 0.00 C ATOM 0 H ALA A 4 -26.880 -12.154 31.773 1.00 0.00 H new ATOM 0 HA ALA A 4 -28.615 -14.159 30.842 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.822 -12.278 29.846 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.291 -11.899 31.502 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.414 -11.223 30.109 1.00 0.00 H new ATOM 60 N MET A 5 -27.962 -14.850 28.611 1.00 0.00 N ATOM 61 CA MET A 5 -27.585 -15.318 27.288 1.00 0.00 C ATOM 62 C MET A 5 -28.473 -14.692 26.211 1.00 0.00 C ATOM 63 O MET A 5 -29.689 -14.606 26.377 1.00 0.00 O ATOM 64 CB MET A 5 -27.709 -16.842 27.230 1.00 0.00 C ATOM 65 CG MET A 5 -26.505 -17.516 27.890 1.00 0.00 C ATOM 66 SD MET A 5 -26.940 -19.165 28.415 1.00 0.00 S ATOM 67 CE MET A 5 -25.922 -20.123 27.305 1.00 0.00 C ATOM 0 H MET A 5 -28.544 -15.497 29.142 1.00 0.00 H new ATOM 0 HA MET A 5 -26.553 -15.021 27.099 1.00 0.00 H new ATOM 0 HB2 MET A 5 -28.625 -17.155 27.731 1.00 0.00 H new ATOM 0 HB3 MET A 5 -27.787 -17.165 26.192 1.00 0.00 H new ATOM 0 HG2 MET A 5 -25.671 -17.557 27.189 1.00 0.00 H new ATOM 0 HG3 MET A 5 -26.173 -16.929 28.746 1.00 0.00 H new ATOM 0 HE1 MET A 5 -26.072 -21.185 27.499 1.00 0.00 H new ATOM 0 HE2 MET A 5 -26.197 -19.899 26.274 1.00 0.00 H new ATOM 0 HE3 MET A 5 -24.874 -19.870 27.463 1.00 0.00 H new ATOM 77 N VAL A 6 -27.831 -14.270 25.131 1.00 0.00 N ATOM 78 CA VAL A 6 -28.548 -13.655 24.028 1.00 0.00 C ATOM 79 C VAL A 6 -29.013 -14.742 23.057 1.00 0.00 C ATOM 80 O VAL A 6 -28.952 -15.929 23.374 1.00 0.00 O ATOM 81 CB VAL A 6 -27.670 -12.594 23.361 1.00 0.00 C ATOM 82 CG1 VAL A 6 -26.724 -13.228 22.339 1.00 0.00 C ATOM 83 CG2 VAL A 6 -28.525 -11.502 22.713 1.00 0.00 C ATOM 0 H VAL A 6 -26.822 -14.342 24.997 1.00 0.00 H new ATOM 0 HA VAL A 6 -29.438 -13.141 24.391 1.00 0.00 H new ATOM 0 HB VAL A 6 -27.062 -12.128 24.136 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -26.112 -12.452 21.880 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -26.079 -13.951 22.839 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -27.306 -13.734 21.569 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -27.876 -10.761 22.246 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -29.171 -11.947 21.956 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -29.138 -11.020 23.475 1.00 0.00 H new ATOM 93 N SER A 7 -29.466 -14.298 21.894 1.00 0.00 N ATOM 94 CA SER A 7 -29.941 -15.219 20.875 1.00 0.00 C ATOM 95 C SER A 7 -29.334 -14.856 19.518 1.00 0.00 C ATOM 96 O SER A 7 -28.855 -13.739 19.327 1.00 0.00 O ATOM 97 CB SER A 7 -31.469 -15.209 20.793 1.00 0.00 C ATOM 98 OG SER A 7 -31.973 -13.943 20.375 1.00 0.00 O ATOM 0 H SER A 7 -29.514 -13.313 21.634 1.00 0.00 H new ATOM 0 HA SER A 7 -29.625 -16.226 21.149 1.00 0.00 H new ATOM 0 HB2 SER A 7 -31.800 -15.979 20.096 1.00 0.00 H new ATOM 0 HB3 SER A 7 -31.886 -15.461 21.768 1.00 0.00 H new ATOM 0 HG SER A 7 -32.951 -13.978 20.333 1.00 0.00 H new ATOM 104 N ALA A 8 -29.374 -15.821 18.611 1.00 0.00 N ATOM 105 CA ALA A 8 -28.834 -15.617 17.278 1.00 0.00 C ATOM 106 C ALA A 8 -29.878 -14.907 16.413 1.00 0.00 C ATOM 107 O ALA A 8 -30.584 -15.547 15.635 1.00 0.00 O ATOM 108 CB ALA A 8 -28.407 -16.963 16.689 1.00 0.00 C ATOM 0 H ALA A 8 -29.772 -16.746 18.773 1.00 0.00 H new ATOM 0 HA ALA A 8 -27.949 -14.982 17.315 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.002 -16.810 15.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -27.644 -17.413 17.325 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.270 -17.626 16.633 1.00 0.00 H new ATOM 114 N GLU A 9 -29.942 -13.594 16.577 1.00 0.00 N ATOM 115 CA GLU A 9 -30.887 -12.790 15.821 1.00 0.00 C ATOM 116 C GLU A 9 -30.756 -13.084 14.325 1.00 0.00 C ATOM 117 O GLU A 9 -29.796 -13.722 13.896 1.00 0.00 O ATOM 118 CB GLU A 9 -30.691 -11.300 16.107 1.00 0.00 C ATOM 119 CG GLU A 9 -32.031 -10.562 16.109 1.00 0.00 C ATOM 120 CD GLU A 9 -31.880 -9.154 16.688 1.00 0.00 C ATOM 121 OE1 GLU A 9 -31.541 -9.003 17.871 1.00 0.00 O ATOM 122 OE2 GLU A 9 -32.128 -8.194 15.862 1.00 0.00 O ATOM 0 H GLU A 9 -29.354 -13.067 17.223 1.00 0.00 H new ATOM 0 HA GLU A 9 -31.896 -13.057 16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -30.200 -11.173 17.072 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -30.033 -10.865 15.355 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -32.418 -10.501 15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.759 -11.124 16.694 1.00 0.00 H new ATOM 130 N SER A 10 -31.735 -12.604 13.572 1.00 0.00 N ATOM 131 CA SER A 10 -31.740 -12.807 12.134 1.00 0.00 C ATOM 132 C SER A 10 -31.053 -11.632 11.436 1.00 0.00 C ATOM 133 O SER A 10 -31.009 -10.526 11.974 1.00 0.00 O ATOM 134 CB SER A 10 -33.167 -12.976 11.607 1.00 0.00 C ATOM 135 OG SER A 10 -33.388 -14.277 11.071 1.00 0.00 O ATOM 0 H SER A 10 -32.530 -12.075 13.931 1.00 0.00 H new ATOM 0 HA SER A 10 -31.189 -13.722 11.916 1.00 0.00 H new ATOM 0 HB2 SER A 10 -33.876 -12.791 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 10 -33.360 -12.229 10.837 1.00 0.00 H new ATOM 0 HG SER A 10 -34.310 -14.345 10.747 1.00 0.00 H new ATOM 141 N SER A 11 -30.533 -11.910 10.250 1.00 0.00 N ATOM 142 CA SER A 11 -29.850 -10.890 9.474 1.00 0.00 C ATOM 143 C SER A 11 -30.596 -9.559 9.587 1.00 0.00 C ATOM 144 O SER A 11 -31.782 -9.534 9.911 1.00 0.00 O ATOM 145 CB SER A 11 -29.725 -11.305 8.006 1.00 0.00 C ATOM 146 OG SER A 11 -28.708 -12.284 7.813 1.00 0.00 O ATOM 0 H SER A 11 -30.571 -12.828 9.807 1.00 0.00 H new ATOM 0 HA SER A 11 -28.844 -10.771 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 11 -30.679 -11.700 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 11 -29.503 -10.427 7.399 1.00 0.00 H new ATOM 0 HG SER A 11 -28.661 -12.524 6.864 1.00 0.00 H new ATOM 152 N GLY A 12 -29.869 -8.485 9.315 1.00 0.00 N ATOM 153 CA GLY A 12 -30.448 -7.154 9.382 1.00 0.00 C ATOM 154 C GLY A 12 -30.710 -6.598 7.981 1.00 0.00 C ATOM 155 O GLY A 12 -30.150 -5.571 7.601 1.00 0.00 O ATOM 0 H GLY A 12 -28.885 -8.509 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -31.381 -7.188 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -29.775 -6.488 9.921 1.00 0.00 H new ATOM 159 N CYS A 13 -31.563 -7.302 7.251 1.00 0.00 N ATOM 160 CA CYS A 13 -31.907 -6.893 5.900 1.00 0.00 C ATOM 161 C CYS A 13 -32.947 -7.871 5.351 1.00 0.00 C ATOM 162 O CYS A 13 -32.667 -8.620 4.415 1.00 0.00 O ATOM 163 CB CYS A 13 -30.671 -6.810 5.002 1.00 0.00 C ATOM 164 SG CYS A 13 -30.929 -5.554 3.695 1.00 0.00 S ATOM 0 H CYS A 13 -32.026 -8.153 7.570 1.00 0.00 H new ATOM 0 HA CYS A 13 -32.330 -5.888 5.919 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -29.795 -6.552 5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -30.474 -7.782 4.550 1.00 0.00 H new ATOM 0 HG CYS A 13 -29.873 -5.490 2.940 1.00 0.00 H new ATOM 170 N ASN A 14 -34.125 -7.835 5.956 1.00 0.00 N ATOM 171 CA ASN A 14 -35.208 -8.709 5.540 1.00 0.00 C ATOM 172 C ASN A 14 -36.167 -7.932 4.636 1.00 0.00 C ATOM 173 O ASN A 14 -37.341 -8.281 4.524 1.00 0.00 O ATOM 174 CB ASN A 14 -36.001 -9.216 6.746 1.00 0.00 C ATOM 175 CG ASN A 14 -35.765 -10.711 6.968 1.00 0.00 C ATOM 176 OD1 ASN A 14 -35.812 -11.516 6.053 1.00 0.00 O ATOM 177 ND2 ASN A 14 -35.510 -11.037 8.232 1.00 0.00 N ATOM 0 H ASN A 14 -34.353 -7.213 6.732 1.00 0.00 H new ATOM 0 HA ASN A 14 -34.772 -9.557 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -35.708 -8.662 7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -37.064 -9.031 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -35.339 -12.011 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -35.485 -10.313 8.950 1.00 0.00 H new ATOM 184 N SER A 15 -35.631 -6.891 4.015 1.00 0.00 N ATOM 185 CA SER A 15 -36.425 -6.061 3.125 1.00 0.00 C ATOM 186 C SER A 15 -37.551 -5.383 3.907 1.00 0.00 C ATOM 187 O SER A 15 -38.588 -5.993 4.164 1.00 0.00 O ATOM 188 CB SER A 15 -37.001 -6.885 1.972 1.00 0.00 C ATOM 189 OG SER A 15 -36.472 -6.483 0.711 1.00 0.00 O ATOM 0 H SER A 15 -34.657 -6.604 4.111 1.00 0.00 H new ATOM 0 HA SER A 15 -35.775 -5.296 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 15 -36.783 -7.940 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 15 -38.086 -6.782 1.959 1.00 0.00 H new ATOM 0 HG SER A 15 -36.863 -7.034 0.001 1.00 0.00 H new ATOM 195 N HIS A 16 -37.309 -4.130 4.264 1.00 0.00 N ATOM 196 CA HIS A 16 -38.290 -3.362 5.012 1.00 0.00 C ATOM 197 C HIS A 16 -38.783 -2.191 4.160 1.00 0.00 C ATOM 198 O HIS A 16 -38.650 -1.033 4.554 1.00 0.00 O ATOM 199 CB HIS A 16 -37.718 -2.916 6.359 1.00 0.00 C ATOM 200 CG HIS A 16 -37.658 -4.014 7.394 1.00 0.00 C ATOM 201 ND1 HIS A 16 -36.473 -4.434 7.973 1.00 0.00 N ATOM 202 CD2 HIS A 16 -38.648 -4.772 7.948 1.00 0.00 C ATOM 203 CE1 HIS A 16 -36.749 -5.402 8.835 1.00 0.00 C ATOM 204 NE2 HIS A 16 -38.097 -5.610 8.818 1.00 0.00 N ATOM 0 H HIS A 16 -36.448 -3.628 4.049 1.00 0.00 H new ATOM 0 HA HIS A 16 -39.152 -3.989 5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -36.714 -2.522 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -38.325 -2.098 6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -39.701 -4.702 7.718 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -36.032 -5.933 9.444 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -38.599 -6.296 9.381 1.00 0.00 H new ATOM 212 N MET A 17 -39.342 -2.533 3.008 1.00 0.00 N ATOM 213 CA MET A 17 -39.855 -1.524 2.097 1.00 0.00 C ATOM 214 C MET A 17 -41.043 -0.782 2.713 1.00 0.00 C ATOM 215 O MET A 17 -41.064 0.448 2.742 1.00 0.00 O ATOM 216 CB MET A 17 -40.291 -2.190 0.791 1.00 0.00 C ATOM 217 CG MET A 17 -39.587 -1.555 -0.410 1.00 0.00 C ATOM 218 SD MET A 17 -40.768 -1.229 -1.708 1.00 0.00 S ATOM 219 CE MET A 17 -40.696 0.554 -1.751 1.00 0.00 C ATOM 0 H MET A 17 -39.451 -3.494 2.685 1.00 0.00 H new ATOM 0 HA MET A 17 -39.062 -0.802 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 17 -40.064 -3.255 0.829 1.00 0.00 H new ATOM 0 HB3 MET A 17 -41.371 -2.098 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 17 -39.101 -0.627 -0.108 1.00 0.00 H new ATOM 0 HG3 MET A 17 -38.805 -2.220 -0.777 1.00 0.00 H new ATOM 0 HE1 MET A 17 -41.379 0.927 -2.514 1.00 0.00 H new ATOM 0 HE2 MET A 17 -40.985 0.953 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 17 -39.680 0.872 -1.986 1.00 0.00 H new ATOM 229 N PRO A 18 -42.028 -1.581 3.204 1.00 0.00 N ATOM 230 CA PRO A 18 -43.216 -1.013 3.818 1.00 0.00 C ATOM 231 C PRO A 18 -42.907 -0.476 5.217 1.00 0.00 C ATOM 232 O PRO A 18 -41.767 -0.544 5.674 1.00 0.00 O ATOM 233 CB PRO A 18 -44.233 -2.143 3.826 1.00 0.00 C ATOM 234 CG PRO A 18 -43.434 -3.424 3.646 1.00 0.00 C ATOM 235 CD PRO A 18 -42.037 -3.041 3.187 1.00 0.00 C ATOM 0 HA PRO A 18 -43.601 -0.152 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.791 -2.159 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -44.960 -2.020 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -43.389 -3.981 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -43.913 -4.073 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -41.276 -3.449 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -41.829 -3.427 2.189 1.00 0.00 H new ATOM 243 N TYR A 19 -43.943 0.044 5.859 1.00 0.00 N ATOM 244 CA TYR A 19 -43.796 0.592 7.196 1.00 0.00 C ATOM 245 C TYR A 19 -42.884 -0.289 8.053 1.00 0.00 C ATOM 246 O TYR A 19 -42.882 -1.510 7.910 1.00 0.00 O ATOM 247 CB TYR A 19 -45.199 0.596 7.806 1.00 0.00 C ATOM 248 CG TYR A 19 -46.250 1.302 6.946 1.00 0.00 C ATOM 249 CD1 TYR A 19 -46.296 2.681 6.907 1.00 0.00 C ATOM 250 CD2 TYR A 19 -47.151 0.560 6.210 1.00 0.00 C ATOM 251 CE1 TYR A 19 -47.285 3.345 6.098 1.00 0.00 C ATOM 252 CE2 TYR A 19 -48.139 1.224 5.401 1.00 0.00 C ATOM 253 CZ TYR A 19 -48.157 2.584 5.384 1.00 0.00 C ATOM 254 OH TYR A 19 -49.091 3.211 4.620 1.00 0.00 O ATOM 0 H TYR A 19 -44.888 0.097 5.478 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.354 1.587 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -45.514 -0.434 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.158 1.080 8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -45.591 3.262 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -47.115 -0.519 6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -47.333 4.423 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -48.850 0.655 4.820 1.00 0.00 H new ATOM 0 HH TYR A 19 -49.644 2.542 4.165 1.00 0.00 H new ATOM 264 N GLY A 20 -42.130 0.366 8.923 1.00 0.00 N ATOM 265 CA GLY A 20 -41.215 -0.342 9.803 1.00 0.00 C ATOM 266 C GLY A 20 -39.822 0.289 9.767 1.00 0.00 C ATOM 267 O GLY A 20 -38.929 -0.125 10.505 1.00 0.00 O ATOM 0 H GLY A 20 -42.134 1.380 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.599 -0.325 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -41.152 -1.388 9.503 1.00 0.00 H new ATOM 271 N TYR A 21 -39.678 1.282 8.900 1.00 0.00 N ATOM 272 CA TYR A 21 -38.409 1.974 8.758 1.00 0.00 C ATOM 273 C TYR A 21 -38.144 2.885 9.958 1.00 0.00 C ATOM 274 O TYR A 21 -36.993 3.139 10.308 1.00 0.00 O ATOM 275 CB TYR A 21 -38.535 2.832 7.498 1.00 0.00 C ATOM 276 CG TYR A 21 -37.236 2.963 6.701 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.285 3.889 7.078 1.00 0.00 C ATOM 278 CD2 TYR A 21 -37.014 2.154 5.605 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.062 4.011 6.328 1.00 0.00 C ATOM 280 CE2 TYR A 21 -35.791 2.276 4.855 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.875 3.199 5.253 1.00 0.00 C ATOM 282 OH TYR A 21 -33.720 3.315 4.545 1.00 0.00 O ATOM 0 H TYR A 21 -40.420 1.623 8.289 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.587 1.260 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -39.302 2.403 6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.877 3.827 7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -36.458 4.522 7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.758 1.429 5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -34.310 4.732 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -35.605 1.649 3.996 1.00 0.00 H new ATOM 0 HH TYR A 21 -33.723 2.672 3.806 1.00 0.00 H new ATOM 292 N ALA A 22 -39.230 3.354 10.556 1.00 0.00 N ATOM 293 CA ALA A 22 -39.130 4.232 11.709 1.00 0.00 C ATOM 294 C ALA A 22 -38.385 3.509 12.832 1.00 0.00 C ATOM 295 O ALA A 22 -37.599 4.120 13.555 1.00 0.00 O ATOM 296 CB ALA A 22 -40.530 4.681 12.132 1.00 0.00 C ATOM 0 H ALA A 22 -40.184 3.142 10.263 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.562 5.128 11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.455 5.340 12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.005 5.215 11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.129 3.808 12.392 1.00 0.00 H new ATOM 302 N ALA A 23 -38.659 2.217 12.944 1.00 0.00 N ATOM 303 CA ALA A 23 -38.024 1.404 13.968 1.00 0.00 C ATOM 304 C ALA A 23 -36.578 1.115 13.560 1.00 0.00 C ATOM 305 O ALA A 23 -35.820 0.523 14.326 1.00 0.00 O ATOM 306 CB ALA A 23 -38.837 0.125 14.180 1.00 0.00 C ATOM 0 H ALA A 23 -39.312 1.714 12.343 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.998 1.936 14.919 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.361 -0.485 14.948 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.847 0.384 14.497 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.882 -0.436 13.247 1.00 0.00 H new ATOM 312 N GLN A 24 -36.240 1.547 12.354 1.00 0.00 N ATOM 313 CA GLN A 24 -34.898 1.343 11.835 1.00 0.00 C ATOM 314 C GLN A 24 -33.956 2.429 12.357 1.00 0.00 C ATOM 315 O GLN A 24 -32.762 2.415 12.061 1.00 0.00 O ATOM 316 CB GLN A 24 -34.901 1.308 10.305 1.00 0.00 C ATOM 317 CG GLN A 24 -33.904 0.274 9.778 1.00 0.00 C ATOM 318 CD GLN A 24 -34.600 -1.054 9.476 1.00 0.00 C ATOM 319 OE1 GLN A 24 -34.329 -2.078 10.082 1.00 0.00 O ATOM 320 NE2 GLN A 24 -35.509 -0.981 8.508 1.00 0.00 N ATOM 0 H GLN A 24 -36.872 2.037 11.721 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.537 0.377 12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.902 1.070 9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.648 2.294 9.915 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.426 0.652 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.115 0.116 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.687 -0.092 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -36.028 -1.814 8.232 1.00 0.00 H new ATOM 329 N ALA A 25 -34.528 3.345 13.125 1.00 0.00 N ATOM 330 CA ALA A 25 -33.753 4.436 13.691 1.00 0.00 C ATOM 331 C ALA A 25 -32.652 3.864 14.586 1.00 0.00 C ATOM 332 O ALA A 25 -31.662 4.538 14.865 1.00 0.00 O ATOM 333 CB ALA A 25 -34.686 5.385 14.447 1.00 0.00 C ATOM 0 H ALA A 25 -35.519 3.354 13.368 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.269 5.013 12.903 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.106 6.204 14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.431 5.787 13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.187 4.841 15.248 1.00 0.00 H new ATOM 339 N ARG A 26 -32.863 2.627 15.011 1.00 0.00 N ATOM 340 CA ARG A 26 -31.900 1.957 15.869 1.00 0.00 C ATOM 341 C ARG A 26 -30.649 1.582 15.072 1.00 0.00 C ATOM 342 O ARG A 26 -29.547 1.550 15.617 1.00 0.00 O ATOM 343 CB ARG A 26 -32.500 0.692 16.487 1.00 0.00 C ATOM 344 CG ARG A 26 -32.105 0.561 17.959 1.00 0.00 C ATOM 345 CD ARG A 26 -32.138 -0.901 18.408 1.00 0.00 C ATOM 346 NE ARG A 26 -32.471 -0.982 19.847 1.00 0.00 N ATOM 347 CZ ARG A 26 -32.244 -2.067 20.617 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.680 -3.175 20.091 1.00 0.00 N ATOM 349 NH2 ARG A 26 -32.582 -2.029 21.893 1.00 0.00 N ATOM 0 H ARG A 26 -33.686 2.071 14.778 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.632 2.647 16.669 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.586 0.720 16.399 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.158 -0.184 15.936 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.105 0.968 18.108 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.785 1.150 18.575 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -32.875 -1.452 17.824 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -31.171 -1.368 18.223 1.00 0.00 H new ATOM 0 HE ARG A 26 -32.899 -0.166 20.285 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -31.422 -3.197 19.104 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -31.512 -3.991 20.680 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -33.008 -1.188 22.283 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -32.417 -2.840 22.489 1.00 0.00 H new ATOM 362 N ALA A 27 -30.862 1.308 13.793 1.00 0.00 N ATOM 363 CA ALA A 27 -29.765 0.936 12.915 1.00 0.00 C ATOM 364 C ALA A 27 -28.875 2.157 12.673 1.00 0.00 C ATOM 365 O ALA A 27 -27.668 2.022 12.477 1.00 0.00 O ATOM 366 CB ALA A 27 -30.325 0.357 11.614 1.00 0.00 C ATOM 0 H ALA A 27 -31.777 1.336 13.344 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.149 0.164 13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.502 0.078 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.926 -0.525 11.837 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.947 1.104 11.121 1.00 0.00 H new ATOM 372 N ARG A 28 -29.505 3.323 12.695 1.00 0.00 N ATOM 373 CA ARG A 28 -28.786 4.567 12.481 1.00 0.00 C ATOM 374 C ARG A 28 -27.735 4.767 13.574 1.00 0.00 C ATOM 375 O ARG A 28 -26.690 5.370 13.333 1.00 0.00 O ATOM 376 CB ARG A 28 -29.741 5.762 12.476 1.00 0.00 C ATOM 377 CG ARG A 28 -29.314 6.801 11.437 1.00 0.00 C ATOM 378 CD ARG A 28 -29.476 8.221 11.984 1.00 0.00 C ATOM 379 NE ARG A 28 -29.486 9.194 10.869 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.057 10.416 10.935 1.00 0.00 C ATOM 381 NH1 ARG A 28 -30.671 10.825 12.066 1.00 0.00 N ATOM 382 NH2 ARG A 28 -30.006 11.204 9.878 1.00 0.00 N ATOM 0 H ARG A 28 -30.506 3.432 12.858 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.297 4.504 11.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.754 5.422 12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.762 6.219 13.465 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.275 6.632 11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.913 6.685 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.403 8.297 12.553 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.661 8.450 12.671 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.033 8.925 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -30.706 10.209 12.879 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -31.100 11.750 12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -29.540 10.887 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.432 12.130 9.911 1.00 0.00 H new ATOM 395 N GLU A 29 -28.048 4.250 14.753 1.00 0.00 N ATOM 396 CA GLU A 29 -27.143 4.365 15.885 1.00 0.00 C ATOM 397 C GLU A 29 -26.048 3.300 15.799 1.00 0.00 C ATOM 398 O GLU A 29 -24.960 3.478 16.344 1.00 0.00 O ATOM 399 CB GLU A 29 -27.905 4.263 17.208 1.00 0.00 C ATOM 400 CG GLU A 29 -27.669 5.504 18.073 1.00 0.00 C ATOM 401 CD GLU A 29 -27.975 5.213 19.543 1.00 0.00 C ATOM 402 OE1 GLU A 29 -27.063 5.237 20.383 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.213 4.956 19.802 1.00 0.00 O ATOM 0 H GLU A 29 -28.915 3.750 14.949 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.671 5.347 15.850 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.971 4.150 17.010 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.585 3.372 17.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.634 5.831 17.971 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -28.298 6.322 17.722 1.00 0.00 H new ATOM 411 N ARG A 30 -26.374 2.216 15.110 1.00 0.00 N ATOM 412 CA ARG A 30 -25.432 1.122 14.946 1.00 0.00 C ATOM 413 C ARG A 30 -24.590 1.332 13.685 1.00 0.00 C ATOM 414 O ARG A 30 -23.447 0.882 13.616 1.00 0.00 O ATOM 415 CB ARG A 30 -26.159 -0.221 14.848 1.00 0.00 C ATOM 416 CG ARG A 30 -26.222 -0.910 16.212 1.00 0.00 C ATOM 417 CD ARG A 30 -24.985 -1.781 16.445 1.00 0.00 C ATOM 418 NE ARG A 30 -24.201 -1.253 17.583 1.00 0.00 N ATOM 419 CZ ARG A 30 -24.437 -1.565 18.875 1.00 0.00 C ATOM 420 NH1 ARG A 30 -25.440 -2.407 19.204 1.00 0.00 N ATOM 421 NH2 ARG A 30 -23.673 -1.035 19.811 1.00 0.00 N ATOM 0 H ARG A 30 -27.277 2.072 14.659 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.784 1.108 15.822 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.169 -0.065 14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.646 -0.865 14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.296 -0.160 16.999 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.120 -1.525 16.272 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.287 -2.809 16.646 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.369 -1.800 15.546 1.00 0.00 H new ATOM 0 HE ARG A 30 -23.434 -0.613 17.379 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.026 -2.812 18.474 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.612 -2.638 20.183 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.917 -0.400 19.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -23.838 -1.260 20.792 1.00 0.00 H new ATOM 434 N GLU A 31 -25.188 2.014 12.720 1.00 0.00 N ATOM 435 CA GLU A 31 -24.507 2.289 11.466 1.00 0.00 C ATOM 436 C GLU A 31 -23.381 3.301 11.683 1.00 0.00 C ATOM 437 O GLU A 31 -22.418 3.338 10.918 1.00 0.00 O ATOM 438 CB GLU A 31 -25.492 2.784 10.404 1.00 0.00 C ATOM 439 CG GLU A 31 -24.989 2.460 8.996 1.00 0.00 C ATOM 440 CD GLU A 31 -26.057 2.773 7.947 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.163 3.921 7.492 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.794 1.771 7.604 1.00 0.00 O ATOM 0 H GLU A 31 -26.136 2.384 12.781 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.068 1.360 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.466 2.320 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.631 3.860 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.088 3.037 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.714 1.407 8.937 1.00 0.00 H new ATOM 450 N ARG A 32 -23.538 4.097 12.731 1.00 0.00 N ATOM 451 CA ARG A 32 -22.546 5.107 13.059 1.00 0.00 C ATOM 452 C ARG A 32 -21.188 4.452 13.319 1.00 0.00 C ATOM 453 O ARG A 32 -20.146 5.058 13.072 1.00 0.00 O ATOM 454 CB ARG A 32 -22.963 5.908 14.294 1.00 0.00 C ATOM 455 CG ARG A 32 -22.970 7.409 13.998 1.00 0.00 C ATOM 456 CD ARG A 32 -22.669 8.218 15.261 1.00 0.00 C ATOM 457 NE ARG A 32 -21.229 8.122 15.592 1.00 0.00 N ATOM 458 CZ ARG A 32 -20.664 8.682 16.682 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.414 9.385 17.558 1.00 0.00 N ATOM 460 NH2 ARG A 32 -19.368 8.533 16.880 1.00 0.00 N ATOM 0 H ARG A 32 -24.337 4.063 13.364 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.470 5.785 12.209 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.955 5.593 14.618 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.278 5.699 15.116 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.229 7.636 13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.941 7.700 13.598 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.947 9.261 15.110 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.267 7.846 16.093 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.626 7.600 14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.415 9.496 17.398 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.979 9.805 18.379 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.808 8.001 16.214 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.926 8.950 17.699 1.00 0.00 H new ATOM 473 N LEU A 33 -21.244 3.224 13.812 1.00 0.00 N ATOM 474 CA LEU A 33 -20.031 2.481 14.108 1.00 0.00 C ATOM 475 C LEU A 33 -19.608 1.689 12.869 1.00 0.00 C ATOM 476 O LEU A 33 -18.486 1.191 12.800 1.00 0.00 O ATOM 477 CB LEU A 33 -20.223 1.615 15.355 1.00 0.00 C ATOM 478 CG LEU A 33 -19.189 1.802 16.467 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.857 1.791 17.844 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.076 0.757 16.361 1.00 0.00 C ATOM 0 H LEU A 33 -22.110 2.725 14.014 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.215 3.164 14.345 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.211 1.820 15.767 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.215 0.568 15.051 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.725 2.780 16.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.100 1.926 18.617 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.583 2.602 17.902 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.364 0.838 17.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.354 0.912 17.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.505 -0.241 16.447 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.575 0.855 15.398 1.00 0.00 H new ATOM 492 N ALA A 34 -20.529 1.599 11.921 1.00 0.00 N ATOM 493 CA ALA A 34 -20.266 0.876 10.689 1.00 0.00 C ATOM 494 C ALA A 34 -19.499 1.783 9.725 1.00 0.00 C ATOM 495 O ALA A 34 -19.244 1.406 8.582 1.00 0.00 O ATOM 496 CB ALA A 34 -21.587 0.380 10.096 1.00 0.00 C ATOM 0 H ALA A 34 -21.458 2.015 11.981 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.646 0.001 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.390 -0.163 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.079 -0.283 10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.234 1.232 9.886 1.00 0.00 H new ATOM 502 N HIS A 35 -19.151 2.961 10.222 1.00 0.00 N ATOM 503 CA HIS A 35 -18.417 3.925 9.419 1.00 0.00 C ATOM 504 C HIS A 35 -16.914 3.711 9.607 1.00 0.00 C ATOM 505 O HIS A 35 -16.107 4.261 8.860 1.00 0.00 O ATOM 506 CB HIS A 35 -18.859 5.352 9.746 1.00 0.00 C ATOM 507 CG HIS A 35 -17.903 6.417 9.263 1.00 0.00 C ATOM 508 ND1 HIS A 35 -17.939 6.931 7.978 1.00 0.00 N ATOM 509 CD2 HIS A 35 -16.885 7.059 9.906 1.00 0.00 C ATOM 510 CE1 HIS A 35 -16.982 7.839 7.864 1.00 0.00 C ATOM 511 NE2 HIS A 35 -16.330 7.917 9.059 1.00 0.00 N ATOM 0 H HIS A 35 -19.364 3.270 11.171 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.641 3.771 8.363 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.838 5.529 9.302 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.977 5.447 10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.582 6.897 10.930 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.757 8.417 6.980 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.545 8.534 9.268 1.00 0.00 H new ATOM 519 N SER A 36 -16.584 2.912 10.611 1.00 0.00 N ATOM 520 CA SER A 36 -15.192 2.619 10.908 1.00 0.00 C ATOM 521 C SER A 36 -14.740 1.381 10.130 1.00 0.00 C ATOM 522 O SER A 36 -13.544 1.167 9.937 1.00 0.00 O ATOM 523 CB SER A 36 -14.981 2.409 12.408 1.00 0.00 C ATOM 524 OG SER A 36 -14.375 3.542 13.026 1.00 0.00 O ATOM 0 H SER A 36 -17.257 2.458 11.229 1.00 0.00 H new ATOM 0 HA SER A 36 -14.590 3.474 10.600 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.940 2.206 12.884 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.355 1.531 12.567 1.00 0.00 H new ATOM 0 HG SER A 36 -14.259 3.369 13.984 1.00 0.00 H new ATOM 530 N ARG A 37 -15.721 0.598 9.705 1.00 0.00 N ATOM 531 CA ARG A 37 -15.440 -0.613 8.953 1.00 0.00 C ATOM 532 C ARG A 37 -15.402 -0.310 7.454 1.00 0.00 C ATOM 533 O ARG A 37 -15.397 -1.225 6.632 1.00 0.00 O ATOM 534 CB ARG A 37 -16.495 -1.687 9.223 1.00 0.00 C ATOM 535 CG ARG A 37 -15.847 -3.062 9.394 1.00 0.00 C ATOM 536 CD ARG A 37 -16.886 -4.178 9.266 1.00 0.00 C ATOM 537 NE ARG A 37 -17.215 -4.720 10.603 1.00 0.00 N ATOM 538 CZ ARG A 37 -17.912 -5.858 10.808 1.00 0.00 C ATOM 539 NH1 ARG A 37 -18.360 -6.585 9.763 1.00 0.00 N ATOM 540 NH2 ARG A 37 -18.149 -6.248 12.047 1.00 0.00 N ATOM 0 H ARG A 37 -16.712 0.779 9.867 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.468 -0.986 9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.057 -1.432 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.208 -1.717 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.069 -3.197 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.363 -3.121 10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.787 -3.794 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.501 -4.973 8.627 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.895 -4.201 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.173 -6.276 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.886 -7.444 9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.807 -5.692 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.674 -7.105 12.220 1.00 0.00 H new ATOM 553 N ALA A 38 -15.376 0.978 7.144 1.00 0.00 N ATOM 554 CA ALA A 38 -15.339 1.413 5.758 1.00 0.00 C ATOM 555 C ALA A 38 -13.884 1.487 5.290 1.00 0.00 C ATOM 556 O ALA A 38 -13.496 0.796 4.349 1.00 0.00 O ATOM 557 CB ALA A 38 -16.063 2.754 5.624 1.00 0.00 C ATOM 0 H ALA A 38 -15.380 1.734 7.829 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.856 0.698 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.035 3.080 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.100 2.641 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.571 3.498 6.251 1.00 0.00 H new ATOM 563 N ALA A 39 -13.120 2.330 5.968 1.00 0.00 N ATOM 564 CA ALA A 39 -11.717 2.503 5.633 1.00 0.00 C ATOM 565 C ALA A 39 -10.982 1.175 5.831 1.00 0.00 C ATOM 566 O ALA A 39 -10.641 0.811 6.955 1.00 0.00 O ATOM 567 CB ALA A 39 -11.124 3.629 6.483 1.00 0.00 C ATOM 0 H ALA A 39 -13.446 2.901 6.748 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.605 2.790 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.071 3.759 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.661 4.556 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.216 3.375 7.539 1.00 0.00 H new ATOM 573 N ALA A 40 -10.761 0.487 4.720 1.00 0.00 N ATOM 574 CA ALA A 40 -10.073 -0.792 4.757 1.00 0.00 C ATOM 575 C ALA A 40 -8.566 -0.560 4.639 1.00 0.00 C ATOM 576 O ALA A 40 -7.813 -0.862 5.563 1.00 0.00 O ATOM 577 CB ALA A 40 -10.613 -1.695 3.646 1.00 0.00 C ATOM 0 H ALA A 40 -11.046 0.791 3.789 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.255 -1.298 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.097 -2.655 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.681 -1.853 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.446 -1.221 2.679 1.00 0.00 H new ATOM 583 N ALA A 41 -8.170 -0.025 3.493 1.00 0.00 N ATOM 584 CA ALA A 41 -6.766 0.251 3.241 1.00 0.00 C ATOM 585 C ALA A 41 -6.015 -1.070 3.062 1.00 0.00 C ATOM 586 O ALA A 41 -5.101 -1.377 3.826 1.00 0.00 O ATOM 587 CB ALA A 41 -6.198 1.094 4.385 1.00 0.00 C ATOM 0 H ALA A 41 -8.797 0.225 2.729 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.647 0.825 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.145 1.301 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.746 2.034 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.298 0.548 5.323 1.00 0.00 H new ATOM 593 N ALA A 42 -6.428 -1.815 2.048 1.00 0.00 N ATOM 594 CA ALA A 42 -5.805 -3.096 1.758 1.00 0.00 C ATOM 595 C ALA A 42 -5.151 -3.039 0.376 1.00 0.00 C ATOM 596 O ALA A 42 -3.926 -3.009 0.266 1.00 0.00 O ATOM 597 CB ALA A 42 -6.851 -4.207 1.863 1.00 0.00 C ATOM 0 H ALA A 42 -7.186 -1.557 1.417 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.022 -3.316 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.384 -5.168 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.264 -4.224 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.651 -4.022 1.147 1.00 0.00 H new ATOM 603 N ALA A 43 -5.997 -3.026 -0.644 1.00 0.00 N ATOM 604 CA ALA A 43 -5.517 -2.974 -2.014 1.00 0.00 C ATOM 605 C ALA A 43 -4.485 -1.852 -2.145 1.00 0.00 C ATOM 606 O ALA A 43 -3.650 -1.874 -3.048 1.00 0.00 O ATOM 607 CB ALA A 43 -6.702 -2.791 -2.964 1.00 0.00 C ATOM 0 H ALA A 43 -7.012 -3.051 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.025 -3.908 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.342 -2.752 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.391 -3.629 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.219 -1.862 -2.725 1.00 0.00 H new ATOM 613 N VAL A 44 -4.577 -0.897 -1.231 1.00 0.00 N ATOM 614 CA VAL A 44 -3.662 0.232 -1.234 1.00 0.00 C ATOM 615 C VAL A 44 -2.483 -0.070 -0.306 1.00 0.00 C ATOM 616 O VAL A 44 -1.369 0.393 -0.541 1.00 0.00 O ATOM 617 CB VAL A 44 -4.409 1.512 -0.854 1.00 0.00 C ATOM 618 CG1 VAL A 44 -3.595 2.348 0.136 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.766 2.328 -2.098 1.00 0.00 C ATOM 0 H VAL A 44 -5.271 -0.882 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.257 0.392 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.339 1.225 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.148 3.252 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.414 1.767 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.642 2.621 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.296 3.233 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.854 2.600 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.403 1.733 -2.753 1.00 0.00 H new ATOM 629 N ALA A 45 -2.770 -0.846 0.729 1.00 0.00 N ATOM 630 CA ALA A 45 -1.748 -1.216 1.694 1.00 0.00 C ATOM 631 C ALA A 45 -0.489 -1.663 0.949 1.00 0.00 C ATOM 632 O ALA A 45 0.589 -1.108 1.156 1.00 0.00 O ATOM 633 CB ALA A 45 -2.292 -2.302 2.623 1.00 0.00 C ATOM 0 H ALA A 45 -3.696 -1.229 0.921 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.479 -0.362 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.525 -2.579 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.169 -1.925 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.570 -3.177 2.036 1.00 0.00 H new ATOM 639 N ALA A 46 -0.666 -2.663 0.098 1.00 0.00 N ATOM 640 CA ALA A 46 0.442 -3.191 -0.678 1.00 0.00 C ATOM 641 C ALA A 46 0.927 -2.122 -1.660 1.00 0.00 C ATOM 642 O ALA A 46 2.112 -1.794 -1.692 1.00 0.00 O ATOM 643 CB ALA A 46 0.005 -4.476 -1.384 1.00 0.00 C ATOM 0 H ALA A 46 -1.561 -3.122 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 46 1.279 -3.445 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.837 -4.872 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.302 -5.213 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.832 -4.260 -2.048 1.00 0.00 H new ATOM 649 N ALA A 47 -0.015 -1.608 -2.438 1.00 0.00 N ATOM 650 CA ALA A 47 0.301 -0.584 -3.419 1.00 0.00 C ATOM 651 C ALA A 47 0.906 0.628 -2.707 1.00 0.00 C ATOM 652 O ALA A 47 1.163 0.582 -1.504 1.00 0.00 O ATOM 653 CB ALA A 47 -0.960 -0.226 -4.208 1.00 0.00 C ATOM 0 H ALA A 47 -0.997 -1.882 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 47 1.039 -0.951 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.723 0.542 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.334 -1.114 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.722 0.149 -3.525 1.00 0.00 H new ATOM 659 N THR A 48 1.118 1.683 -3.479 1.00 0.00 N ATOM 660 CA THR A 48 1.688 2.905 -2.937 1.00 0.00 C ATOM 661 C THR A 48 2.911 2.586 -2.075 1.00 0.00 C ATOM 662 O THR A 48 2.790 2.390 -0.867 1.00 0.00 O ATOM 663 CB THR A 48 0.586 3.645 -2.177 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.554 3.538 -3.026 1.00 0.00 O ATOM 665 CG2 THR A 48 0.844 5.151 -2.090 1.00 0.00 C ATOM 0 H THR A 48 0.905 1.717 -4.476 1.00 0.00 H new ATOM 0 HA THR A 48 2.050 3.558 -3.731 1.00 0.00 H new ATOM 0 HB THR A 48 0.499 3.232 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.317 3.990 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.032 5.628 -1.541 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.786 5.329 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.897 5.570 -3.095 1.00 0.00 H new ATOM 673 N ALA A 49 4.062 2.543 -2.730 1.00 0.00 N ATOM 674 CA ALA A 49 5.306 2.251 -2.039 1.00 0.00 C ATOM 675 C ALA A 49 5.408 3.127 -0.789 1.00 0.00 C ATOM 676 O ALA A 49 6.091 2.769 0.170 1.00 0.00 O ATOM 677 CB ALA A 49 6.483 2.460 -2.995 1.00 0.00 C ATOM 0 H ALA A 49 4.159 2.706 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 49 5.330 1.210 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.416 2.241 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.379 1.794 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.493 3.494 -3.339 1.00 0.00 H new ATOM 683 N ALA A 50 4.718 4.257 -0.839 1.00 0.00 N ATOM 684 CA ALA A 50 4.722 5.187 0.277 1.00 0.00 C ATOM 685 C ALA A 50 3.662 4.760 1.294 1.00 0.00 C ATOM 686 O ALA A 50 2.846 5.574 1.724 1.00 0.00 O ATOM 687 CB ALA A 50 4.495 6.608 -0.241 1.00 0.00 C ATOM 0 H ALA A 50 4.152 4.550 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 50 5.688 5.176 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.498 7.305 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.291 6.873 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.534 6.660 -0.753 1.00 0.00 H new ATOM 693 N VAL A 51 3.708 3.484 1.649 1.00 0.00 N ATOM 694 CA VAL A 51 2.761 2.940 2.608 1.00 0.00 C ATOM 695 C VAL A 51 3.403 1.758 3.338 1.00 0.00 C ATOM 696 O VAL A 51 2.933 0.627 3.228 1.00 0.00 O ATOM 697 CB VAL A 51 1.456 2.568 1.901 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.553 1.738 2.816 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.729 3.817 1.400 1.00 0.00 C ATOM 0 H VAL A 51 4.386 2.812 1.290 1.00 0.00 H new ATOM 0 HA VAL A 51 2.507 3.687 3.360 1.00 0.00 H new ATOM 0 HB VAL A 51 1.707 1.956 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.367 1.487 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.069 0.821 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.314 2.313 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.195 3.525 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.496 4.466 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.367 4.352 0.697 1.00 0.00 H new ATOM 709 N GLU A 52 4.467 2.062 4.067 1.00 0.00 N ATOM 710 CA GLU A 52 5.178 1.039 4.814 1.00 0.00 C ATOM 711 C GLU A 52 4.920 1.202 6.314 1.00 0.00 C ATOM 712 O GLU A 52 4.411 2.232 6.752 1.00 0.00 O ATOM 713 CB GLU A 52 6.676 1.079 4.508 1.00 0.00 C ATOM 714 CG GLU A 52 7.245 -0.335 4.368 1.00 0.00 C ATOM 715 CD GLU A 52 7.037 -0.871 2.950 1.00 0.00 C ATOM 716 OE1 GLU A 52 7.169 -0.115 1.976 1.00 0.00 O ATOM 717 OE2 GLU A 52 6.729 -2.121 2.879 1.00 0.00 O ATOM 0 H GLU A 52 4.853 3.002 4.156 1.00 0.00 H new ATOM 0 HA GLU A 52 4.803 0.063 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.848 1.637 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.199 1.608 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.309 -0.328 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.762 -0.998 5.086 1.00 0.00 H new ATOM 725 N GLY A 53 5.284 0.169 7.060 1.00 0.00 N ATOM 726 CA GLY A 53 5.098 0.184 8.501 1.00 0.00 C ATOM 727 C GLY A 53 6.435 0.029 9.228 1.00 0.00 C ATOM 728 O GLY A 53 6.608 -0.890 10.027 1.00 0.00 O ATOM 0 H GLY A 53 5.707 -0.684 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.623 1.119 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.426 -0.623 8.793 1.00 0.00 H new ATOM 732 N THR A 54 7.347 0.941 8.924 1.00 0.00 N ATOM 733 CA THR A 54 8.663 0.917 9.539 1.00 0.00 C ATOM 734 C THR A 54 9.403 -0.368 9.164 1.00 0.00 C ATOM 735 O THR A 54 9.772 -1.154 10.035 1.00 0.00 O ATOM 736 CB THR A 54 8.484 1.096 11.048 1.00 0.00 C ATOM 737 OG1 THR A 54 8.036 2.442 11.187 1.00 0.00 O ATOM 738 CG2 THR A 54 9.815 1.067 11.803 1.00 0.00 C ATOM 0 H THR A 54 7.200 1.701 8.260 1.00 0.00 H new ATOM 0 HA THR A 54 9.285 1.733 9.172 1.00 0.00 H new ATOM 0 HB THR A 54 7.832 0.312 11.432 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.893 2.643 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.631 1.198 12.869 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.308 0.109 11.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.455 1.873 11.443 1.00 0.00 H new ATOM 746 N GLY A 55 9.599 -0.543 7.865 1.00 0.00 N ATOM 747 CA GLY A 55 10.289 -1.720 7.363 1.00 0.00 C ATOM 748 C GLY A 55 9.907 -2.963 8.168 1.00 0.00 C ATOM 749 O GLY A 55 8.811 -3.037 8.722 1.00 0.00 O ATOM 0 H GLY A 55 9.292 0.111 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.040 -1.872 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.367 -1.565 7.416 1.00 0.00 H new ATOM 753 N GLY A 56 10.832 -3.911 8.207 1.00 0.00 N ATOM 754 CA GLY A 56 10.606 -5.148 8.935 1.00 0.00 C ATOM 755 C GLY A 56 11.930 -5.845 9.257 1.00 0.00 C ATOM 756 O GLY A 56 12.240 -6.088 10.422 1.00 0.00 O ATOM 0 H GLY A 56 11.740 -3.847 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.068 -4.937 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.976 -5.812 8.344 1.00 0.00 H new ATOM 760 N SER A 57 12.674 -6.146 8.203 1.00 0.00 N ATOM 761 CA SER A 57 13.957 -6.810 8.358 1.00 0.00 C ATOM 762 C SER A 57 14.711 -6.811 7.027 1.00 0.00 C ATOM 763 O SER A 57 14.114 -6.606 5.972 1.00 0.00 O ATOM 764 CB SER A 57 13.779 -8.242 8.868 1.00 0.00 C ATOM 765 OG SER A 57 13.888 -8.321 10.286 1.00 0.00 O ATOM 0 H SER A 57 12.413 -5.942 7.238 1.00 0.00 H new ATOM 0 HA SER A 57 14.539 -6.259 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.804 -8.619 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.530 -8.886 8.410 1.00 0.00 H new ATOM 0 HG SER A 57 13.356 -7.607 10.695 1.00 0.00 H new ATOM 771 N GLY A 58 16.012 -7.044 7.120 1.00 0.00 N ATOM 772 CA GLY A 58 16.854 -7.074 5.936 1.00 0.00 C ATOM 773 C GLY A 58 18.329 -6.915 6.309 1.00 0.00 C ATOM 774 O GLY A 58 18.652 -6.510 7.424 1.00 0.00 O ATOM 0 H GLY A 58 16.504 -7.214 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.709 -8.015 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.559 -6.276 5.255 1.00 0.00 H new ATOM 778 N GLY A 59 19.186 -7.244 5.353 1.00 0.00 N ATOM 779 CA GLY A 59 20.620 -7.143 5.566 1.00 0.00 C ATOM 780 C GLY A 59 21.374 -8.171 4.719 1.00 0.00 C ATOM 781 O GLY A 59 20.782 -9.135 4.235 1.00 0.00 O ATOM 0 H GLY A 59 18.915 -7.581 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 59 20.959 -6.139 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.847 -7.299 6.621 1.00 0.00 H new ATOM 785 N GLY A 60 22.668 -7.931 4.568 1.00 0.00 N ATOM 786 CA GLY A 60 23.508 -8.824 3.788 1.00 0.00 C ATOM 787 C GLY A 60 24.719 -9.286 4.601 1.00 0.00 C ATOM 788 O GLY A 60 25.770 -8.648 4.574 1.00 0.00 O ATOM 0 H GLY A 60 23.155 -7.131 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 60 22.927 -9.690 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 60 23.844 -8.316 2.884 1.00 0.00 H new ATOM 792 N PRO A 61 24.526 -10.421 5.325 1.00 0.00 N ATOM 793 CA PRO A 61 25.590 -10.977 6.144 1.00 0.00 C ATOM 794 C PRO A 61 26.646 -11.666 5.278 1.00 0.00 C ATOM 795 O PRO A 61 26.422 -11.906 4.093 1.00 0.00 O ATOM 796 CB PRO A 61 24.892 -11.929 7.101 1.00 0.00 C ATOM 797 CG PRO A 61 23.536 -12.224 6.482 1.00 0.00 C ATOM 798 CD PRO A 61 23.295 -11.204 5.381 1.00 0.00 C ATOM 0 HA PRO A 61 26.141 -10.214 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 61 25.469 -12.844 7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.781 -11.479 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 61 23.513 -13.236 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.751 -12.165 7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.092 -11.691 4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.435 -10.574 5.606 1.00 0.00 H new ATOM 806 N HIS A 62 27.775 -11.966 5.904 1.00 0.00 N ATOM 807 CA HIS A 62 28.866 -12.623 5.205 1.00 0.00 C ATOM 808 C HIS A 62 29.795 -13.293 6.220 1.00 0.00 C ATOM 809 O HIS A 62 30.916 -12.837 6.437 1.00 0.00 O ATOM 810 CB HIS A 62 29.599 -11.637 4.292 1.00 0.00 C ATOM 811 CG HIS A 62 30.355 -12.293 3.162 1.00 0.00 C ATOM 812 ND1 HIS A 62 31.722 -12.153 2.994 1.00 0.00 N ATOM 813 CD2 HIS A 62 29.923 -13.095 2.147 1.00 0.00 C ATOM 814 CE1 HIS A 62 32.084 -12.842 1.922 1.00 0.00 C ATOM 815 NE2 HIS A 62 30.968 -13.425 1.398 1.00 0.00 N ATOM 0 H HIS A 62 27.957 -11.766 6.887 1.00 0.00 H new ATOM 0 HA HIS A 62 28.469 -13.403 4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 62 28.875 -10.938 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 62 30.297 -11.052 4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 62 28.903 -13.409 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 62 33.087 -12.927 1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 62 30.941 -14.017 0.568 1.00 0.00 H new ATOM 823 N HIS A 63 29.294 -14.367 6.813 1.00 0.00 N ATOM 824 CA HIS A 63 30.064 -15.105 7.800 1.00 0.00 C ATOM 825 C HIS A 63 31.517 -15.221 7.333 1.00 0.00 C ATOM 826 O HIS A 63 31.778 -15.586 6.188 1.00 0.00 O ATOM 827 CB HIS A 63 29.422 -16.464 8.085 1.00 0.00 C ATOM 828 CG HIS A 63 27.913 -16.433 8.128 1.00 0.00 C ATOM 829 ND1 HIS A 63 27.123 -17.270 7.359 1.00 0.00 N ATOM 830 CD2 HIS A 63 27.058 -15.659 8.857 1.00 0.00 C ATOM 831 CE1 HIS A 63 25.852 -17.002 7.620 1.00 0.00 C ATOM 832 NE2 HIS A 63 25.814 -16.004 8.548 1.00 0.00 N ATOM 0 H HIS A 63 28.364 -14.744 6.629 1.00 0.00 H new ATOM 0 HA HIS A 63 30.064 -14.564 8.746 1.00 0.00 H new ATOM 0 HB2 HIS A 63 29.739 -17.172 7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 63 29.795 -16.838 9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 63 27.345 -14.895 9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 63 24.996 -17.489 7.176 1.00 0.00 H new ATOM 0 HE2 HIS A 63 24.968 -15.590 8.941 1.00 0.00 H new ATOM 840 N HIS A 64 32.425 -14.904 8.245 1.00 0.00 N ATOM 841 CA HIS A 64 33.844 -14.969 7.942 1.00 0.00 C ATOM 842 C HIS A 64 34.652 -14.581 9.182 1.00 0.00 C ATOM 843 O HIS A 64 35.020 -13.419 9.349 1.00 0.00 O ATOM 844 CB HIS A 64 34.179 -14.107 6.723 1.00 0.00 C ATOM 845 CG HIS A 64 35.114 -14.771 5.740 1.00 0.00 C ATOM 846 ND1 HIS A 64 34.673 -15.629 4.748 1.00 0.00 N ATOM 847 CD2 HIS A 64 36.469 -14.692 5.607 1.00 0.00 C ATOM 848 CE1 HIS A 64 35.724 -16.043 4.055 1.00 0.00 C ATOM 849 NE2 HIS A 64 36.836 -15.462 4.590 1.00 0.00 N ATOM 0 H HIS A 64 32.205 -14.601 9.194 1.00 0.00 H new ATOM 0 HA HIS A 64 34.117 -15.991 7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 64 33.253 -13.847 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 64 34.628 -13.174 7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 64 37.131 -14.103 6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 64 35.704 -16.721 3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 64 37.792 -15.597 4.262 1.00 0.00 H new ATOM 857 N HIS A 65 34.904 -15.576 10.020 1.00 0.00 N ATOM 858 CA HIS A 65 35.661 -15.353 11.239 1.00 0.00 C ATOM 859 C HIS A 65 36.791 -14.358 10.967 1.00 0.00 C ATOM 860 O HIS A 65 37.764 -14.688 10.290 1.00 0.00 O ATOM 861 CB HIS A 65 36.164 -16.678 11.816 1.00 0.00 C ATOM 862 CG HIS A 65 35.066 -17.582 12.325 1.00 0.00 C ATOM 863 ND1 HIS A 65 35.303 -18.633 13.194 1.00 0.00 N ATOM 864 CD2 HIS A 65 33.725 -17.580 12.080 1.00 0.00 C ATOM 865 CE1 HIS A 65 34.149 -19.231 13.452 1.00 0.00 C ATOM 866 NE2 HIS A 65 33.172 -18.577 12.761 1.00 0.00 N ATOM 0 H HIS A 65 34.597 -16.538 9.878 1.00 0.00 H new ATOM 0 HA HIS A 65 35.013 -14.915 11.998 1.00 0.00 H new ATOM 0 HB2 HIS A 65 36.729 -17.206 11.048 1.00 0.00 H new ATOM 0 HB3 HIS A 65 36.855 -16.468 12.632 1.00 0.00 H new ATOM 0 HD2 HIS A 65 33.201 -16.885 11.440 1.00 0.00 H new ATOM 0 HE1 HIS A 65 34.007 -20.086 14.096 1.00 0.00 H new ATOM 0 HE2 HIS A 65 32.180 -18.814 12.766 1.00 0.00 H new ATOM 874 N GLN A 66 36.626 -13.161 11.510 1.00 0.00 N ATOM 875 CA GLN A 66 37.620 -12.116 11.335 1.00 0.00 C ATOM 876 C GLN A 66 37.232 -10.874 12.140 1.00 0.00 C ATOM 877 O GLN A 66 36.181 -10.847 12.778 1.00 0.00 O ATOM 878 CB GLN A 66 37.802 -11.775 9.854 1.00 0.00 C ATOM 879 CG GLN A 66 39.246 -11.364 9.559 1.00 0.00 C ATOM 880 CD GLN A 66 39.846 -12.229 8.449 1.00 0.00 C ATOM 881 OE1 GLN A 66 39.955 -11.825 7.303 1.00 0.00 O ATOM 882 NE2 GLN A 66 40.228 -13.437 8.851 1.00 0.00 N ATOM 0 H GLN A 66 35.818 -12.891 12.072 1.00 0.00 H new ATOM 0 HA GLN A 66 38.575 -12.484 11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 66 37.534 -12.637 9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 66 37.126 -10.966 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 66 39.276 -10.315 9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 66 39.847 -11.458 10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 66 40.108 -13.712 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 66 40.641 -14.089 8.185 1.00 0.00 H new ATOM 891 N THR A 67 38.102 -9.876 12.083 1.00 0.00 N ATOM 892 CA THR A 67 37.864 -8.634 12.799 1.00 0.00 C ATOM 893 C THR A 67 38.657 -7.491 12.162 1.00 0.00 C ATOM 894 O THR A 67 39.620 -7.728 11.436 1.00 0.00 O ATOM 895 CB THR A 67 38.206 -8.864 14.272 1.00 0.00 C ATOM 896 OG1 THR A 67 37.543 -10.084 14.596 1.00 0.00 O ATOM 897 CG2 THR A 67 37.555 -7.830 15.193 1.00 0.00 C ATOM 0 H THR A 67 38.973 -9.902 11.552 1.00 0.00 H new ATOM 0 HA THR A 67 36.817 -8.336 12.737 1.00 0.00 H new ATOM 0 HB THR A 67 39.288 -8.835 14.402 1.00 0.00 H new ATOM 0 HG1 THR A 67 36.650 -10.088 14.193 1.00 0.00 H new ATOM 0 HG21 THR A 67 37.830 -8.039 16.227 1.00 0.00 H new ATOM 0 HG22 THR A 67 37.899 -6.832 14.921 1.00 0.00 H new ATOM 0 HG23 THR A 67 36.471 -7.881 15.089 1.00 0.00 H new ATOM 905 N ARG A 68 38.221 -6.275 12.458 1.00 0.00 N ATOM 906 CA ARG A 68 38.879 -5.094 11.924 1.00 0.00 C ATOM 907 C ARG A 68 40.338 -5.046 12.381 1.00 0.00 C ATOM 908 O ARG A 68 40.639 -5.334 13.539 1.00 0.00 O ATOM 909 CB ARG A 68 38.168 -3.817 12.375 1.00 0.00 C ATOM 910 CG ARG A 68 37.937 -3.822 13.887 1.00 0.00 C ATOM 911 CD ARG A 68 38.038 -2.408 14.463 1.00 0.00 C ATOM 912 NE ARG A 68 37.588 -2.402 15.872 1.00 0.00 N ATOM 913 CZ ARG A 68 38.392 -2.662 16.925 1.00 0.00 C ATOM 914 NH1 ARG A 68 39.697 -2.952 16.735 1.00 0.00 N ATOM 915 NH2 ARG A 68 37.884 -2.629 18.142 1.00 0.00 N ATOM 0 H ARG A 68 37.421 -6.082 13.060 1.00 0.00 H new ATOM 0 HA ARG A 68 38.838 -5.155 10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 68 38.764 -2.948 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.213 -3.727 11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 68 36.954 -4.238 14.107 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.671 -4.468 14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.067 -2.053 14.400 1.00 0.00 H new ATOM 0 HD3 ARG A 68 37.428 -1.722 13.875 1.00 0.00 H new ATOM 0 HE ARG A 68 36.609 -2.188 16.060 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.082 -2.976 15.791 1.00 0.00 H new ATOM 0 HH12 ARG A 68 40.298 -3.147 17.536 1.00 0.00 H new ATOM 0 HH21 ARG A 68 36.897 -2.409 18.277 1.00 0.00 H new ATOM 0 HH22 ARG A 68 38.478 -2.823 18.948 1.00 0.00 H new ATOM 928 N GLY A 69 41.205 -4.681 11.449 1.00 0.00 N ATOM 929 CA GLY A 69 42.626 -4.591 11.742 1.00 0.00 C ATOM 930 C GLY A 69 43.458 -5.207 10.615 1.00 0.00 C ATOM 931 O GLY A 69 44.058 -6.267 10.790 1.00 0.00 O ATOM 0 H GLY A 69 40.952 -4.444 10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 42.908 -3.547 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 69 42.841 -5.104 12.680 1.00 0.00 H new ATOM 935 N ALA A 70 43.467 -4.517 9.484 1.00 0.00 N ATOM 936 CA ALA A 70 44.215 -4.983 8.329 1.00 0.00 C ATOM 937 C ALA A 70 45.668 -4.519 8.447 1.00 0.00 C ATOM 938 O ALA A 70 46.116 -3.670 7.678 1.00 0.00 O ATOM 939 CB ALA A 70 43.544 -4.481 7.049 1.00 0.00 C ATOM 0 H ALA A 70 42.968 -3.639 9.343 1.00 0.00 H new ATOM 0 HA ALA A 70 44.219 -6.072 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 70 44.105 -4.831 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 70 42.524 -4.863 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 70 43.524 -3.391 7.052 1.00 0.00 H new ATOM 945 N TYR A 71 46.363 -5.096 9.416 1.00 0.00 N ATOM 946 CA TYR A 71 47.757 -4.751 9.645 1.00 0.00 C ATOM 947 C TYR A 71 48.465 -5.839 10.454 1.00 0.00 C ATOM 948 O TYR A 71 47.826 -6.772 10.940 1.00 0.00 O ATOM 949 CB TYR A 71 47.742 -3.455 10.458 1.00 0.00 C ATOM 950 CG TYR A 71 48.401 -2.269 9.750 1.00 0.00 C ATOM 951 CD1 TYR A 71 49.777 -2.175 9.697 1.00 0.00 C ATOM 952 CD2 TYR A 71 47.620 -1.294 9.165 1.00 0.00 C ATOM 953 CE1 TYR A 71 50.397 -1.059 9.031 1.00 0.00 C ATOM 954 CE2 TYR A 71 48.239 -0.178 8.499 1.00 0.00 C ATOM 955 CZ TYR A 71 49.598 -0.116 8.465 1.00 0.00 C ATOM 956 OH TYR A 71 50.183 0.939 7.836 1.00 0.00 O ATOM 0 H TYR A 71 45.988 -5.800 10.052 1.00 0.00 H new ATOM 0 HA TYR A 71 48.287 -4.645 8.698 1.00 0.00 H new ATOM 0 HB2 TYR A 71 46.709 -3.197 10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 71 48.251 -3.627 11.407 1.00 0.00 H new ATOM 0 HD1 TYR A 71 50.389 -2.938 10.155 1.00 0.00 H new ATOM 0 HD2 TYR A 71 46.543 -1.368 9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 71 51.472 -0.973 8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 71 47.639 0.592 8.037 1.00 0.00 H new ATOM 0 HH TYR A 71 49.490 1.532 7.478 1.00 0.00 H new ATOM 966 N SER A 72 49.775 -5.684 10.574 1.00 0.00 N ATOM 967 CA SER A 72 50.577 -6.642 11.316 1.00 0.00 C ATOM 968 C SER A 72 50.401 -8.042 10.724 1.00 0.00 C ATOM 969 O SER A 72 49.392 -8.701 10.967 1.00 0.00 O ATOM 970 CB SER A 72 50.202 -6.643 12.799 1.00 0.00 C ATOM 971 OG SER A 72 50.391 -5.364 13.398 1.00 0.00 O ATOM 0 H SER A 72 50.301 -4.909 10.170 1.00 0.00 H new ATOM 0 HA SER A 72 51.623 -6.348 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 72 49.160 -6.945 12.909 1.00 0.00 H new ATOM 0 HB3 SER A 72 50.806 -7.383 13.325 1.00 0.00 H new ATOM 0 HG SER A 72 50.139 -5.405 14.344 1.00 0.00 H new ATOM 977 N SER A 73 51.400 -8.455 9.957 1.00 0.00 N ATOM 978 CA SER A 73 51.369 -9.764 9.328 1.00 0.00 C ATOM 979 C SER A 73 52.785 -10.335 9.237 1.00 0.00 C ATOM 980 O SER A 73 53.497 -10.088 8.265 1.00 0.00 O ATOM 981 CB SER A 73 50.735 -9.692 7.937 1.00 0.00 C ATOM 982 OG SER A 73 51.030 -10.847 7.156 1.00 0.00 O ATOM 0 H SER A 73 52.236 -7.906 9.757 1.00 0.00 H new ATOM 0 HA SER A 73 50.757 -10.424 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 73 49.655 -9.587 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 73 51.095 -8.803 7.420 1.00 0.00 H new ATOM 0 HG SER A 73 50.607 -10.764 6.276 1.00 0.00 H new ATOM 988 N HIS A 74 53.152 -11.089 10.264 1.00 0.00 N ATOM 989 CA HIS A 74 54.471 -11.697 10.312 1.00 0.00 C ATOM 990 C HIS A 74 55.539 -10.603 10.363 1.00 0.00 C ATOM 991 O HIS A 74 55.236 -9.425 10.182 1.00 0.00 O ATOM 992 CB HIS A 74 54.667 -12.662 9.141 1.00 0.00 C ATOM 993 CG HIS A 74 55.861 -13.574 9.291 1.00 0.00 C ATOM 994 ND1 HIS A 74 56.914 -13.585 8.392 1.00 0.00 N ATOM 995 CD2 HIS A 74 56.159 -14.504 10.243 1.00 0.00 C ATOM 996 CE1 HIS A 74 57.798 -14.486 8.794 1.00 0.00 C ATOM 997 NE2 HIS A 74 57.328 -15.055 9.942 1.00 0.00 N ATOM 0 H HIS A 74 52.559 -11.292 11.069 1.00 0.00 H new ATOM 0 HA HIS A 74 54.568 -12.293 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 74 53.769 -13.270 9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 74 54.776 -12.085 8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 74 55.547 -14.750 11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 74 58.727 -14.728 8.300 1.00 0.00 H new ATOM 0 HE2 HIS A 74 57.798 -15.783 10.480 1.00 0.00 H new ATOM 1005 N ASP A 75 56.768 -11.031 10.612 1.00 0.00 N ATOM 1006 CA ASP A 75 57.883 -10.103 10.690 1.00 0.00 C ATOM 1007 C ASP A 75 59.063 -10.661 9.891 1.00 0.00 C ATOM 1008 O ASP A 75 59.965 -9.918 9.508 1.00 0.00 O ATOM 1009 CB ASP A 75 58.340 -9.911 12.137 1.00 0.00 C ATOM 1010 CG ASP A 75 57.553 -8.867 12.931 1.00 0.00 C ATOM 1011 OD1 ASP A 75 56.735 -9.207 13.799 1.00 0.00 O ATOM 1012 OD2 ASP A 75 57.811 -7.640 12.624 1.00 0.00 O ATOM 0 H ASP A 75 57.016 -12.009 10.762 1.00 0.00 H new ATOM 0 HA ASP A 75 57.553 -9.146 10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 75 58.269 -10.868 12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 75 59.392 -9.627 12.135 1.00 0.00 H new TER 1018 ASP A 75